General Information of the Compound
| Compound ID |
CP0409951
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| Compound Name |
6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C20H17N3OS
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| Molecular Weight |
347.443
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| Canonical SMILES |
COc1cccc(c1)-c1nc(N)c2cc(Cc3ccccc3)sc2n1
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| InChI |
InChI=1S/C20H17N3OS/c1-24-15-9-5-8-14(11-15)19-22-18(21)17-12-16(25-20(17)23-19)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H2,21,22,23)
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| InChIKey |
ULJTUNXFPWCVPW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a